Ubiquinone-1

Details

• Internal ID: 23de1262-d194-40e0-bebb-989f6a9c68b0
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylquinones > Ubiquinones
• IUPAC Name: 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
• SMILES (Canonical): CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
• SMILES (Isomeric): CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
• InChI: InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
• InChI Key: SOECUQMRSRVZQQ-UHFFFAOYSA-N
• Popularity: 126 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₈O₄
• Molecular Weight: 250.29 g/mol
• Exact Mass: 250.12050905 g/mol
• Topological Polar Surface Area (TPSA): 52.60 Ų
• XlogP: 2.80

Synonyms

• Coenzyme Q1
• Ubiquinone Q1
• 727-81-1
• Ubiquinone 5
• CoQ1
• Coenzyme Q5
• Ubiquionone 1
• Koenzym Q
• Ubiquinone Q5
• Ubiquinone-Q1
• 2,3-Dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone
• 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
• CHEBI:46234
• JR17826E4G
• 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
• 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-
• NSC-268269
• p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-
• Ubiquinone 1
• mitoquinones
• Ubichinon
• a ubiquinone
• UNII-JR17826E4G
• Coenzymes Q
• Coenzym Q
• MFCD00274412
• NSC 268269
• mitochondrial ubiquinone
• mitochondrial ubiquinones
• Coenzyme Q1, >=95%
• CO-Q1
• SCHEMBL1129498
• CHEMBL1236594
• BDBM16100
• CHEBI:16389
• DTXSID10223001
• SOECUQMRSRVZQQ-UHFFFAOYSA-N
• NSC268269
• AKOS040744384
• DB08689
• J93.220E
• HY-113449
• CS-0059593
• Q27097877
• 2-ISOPENTENYL-5,6-DIMETHOXY-3-METHYL-P-BENZOQUINONE
• 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzo-1,4-quinone
• 2,3-dimethoxy-5-methyl-6-(3-methylbut-2-en-1-yl)-1,4-benzoquinone
• 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-2,5-cyclohexadiene-1,4-dione
• 2,5-CYCLOHEXADIENE-1,4-DIONE, 2,3-DIMETHOXY-5-METHYL-6-(3-METHYL-2-BUTEN-1-YL)-
• 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)- (9CI)
• p-Benzoquinone, 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)- (6CI,7CI,8CI)

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	92.64%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.08%	95.56%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.90%	85.14%
CHEMBL3401	O75469	Pregnane X receptor	89.88%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	88.26%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.24%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.71%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	83.61%	96.95%
CHEMBL1937	Q92769	Histone deacetylase 2	81.41%	94.75%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.25%	97.21%

Plants that contains it

• Solanum lycopersicum

Cross-Links

• PubChem: 4462
• LOTUS: LTS0159026
• wikiData: Q27097877